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PUBCHEM-ZINC01846012

 MMsINC code: MMs02823974
Type: Neutral
Formula: C18H13Cl2O4P
SMILES:   Clc1ccccc1OP(Oc1cc(Cl)ccc1)(Oc1ccccc1)=O
InChI:   InChI=1/C18H13Cl2O4P/c19-14-7-6-10-16(13-14)23-25(21,22-15-8-2-1-3-9-15)24-18-12-5-4-11-17(18)20/h1-13H/t25-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.5309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.178 g/mol  logS: -6.44076  SlogP: 5.5681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150967  Sterimol/B1: 2.37811  Sterimol/B2: 3.37165  Sterimol/B3: 4.96693
  Sterimol/B4: 8.04892  Sterimol/L: 14.4289 
 
 Surface and Volume Properties
  Accessible surface: 559.644  Positive charged surface: 247.873  Negative charged surface: 311.771  Volume: 328.5
  Hydrophobic surface: 523.642  Hydrophilic surface: 36.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.